4-(3-methylhexan-3-ylsulfanyl)pyridine

C12H19NS — CID 130456725

IUPAC4-(3-methylhexan-3-ylsulfanyl)pyridine
SMILESCCCC(C)(CC)Sc1ccncc1
InChIInChI=1S/C12H19NS/c1-4-8-12(3,5-2)14-11-6-9-13-10-7-11/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyRCLDLUYASWCMTI-UHFFFAOYSA-N
MW209.36 g/mol
LogP4.14
Rot. Bonds5

About 4-(3-methylhexan-3-ylsulfanyl)pyridine

4-(3-methylhexan-3-ylsulfanyl)pyridine (PubChem CID 130456725) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-(3-methylhexan-3-ylsulfanyl)pyridine.

Molecular Properties

Compound Name4-(3-methylhexan-3-ylsulfanyl)pyridine
PubChem CID130456725
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-(3-methylhexan-3-ylsulfanyl)pyridine
SMILESCCCC(C)(CC)Sc1ccncc1
InChIInChI=1S/C12H19NS/c1-4-8-12(3,5-2)14-11-6-9-13-10-7-11/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyRCLDLUYASWCMTI-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-methyloctan-3-yl)pyridin-4-amine
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N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
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4-(5-methylundecan-5-yl)pyridine
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4-(3,3-dimethylpentan-2-yl)pyridine
CID 144548059
(1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine
CID 114066633
N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65115027
N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine
CID 80525549
tert-butyl 3-pyridin-4-ylsulfanylpropanoate
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4-methyl-4-phenylsulfanylnonanoic acid
CID 90393356

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylhexan-3-ylsulfanyl)pyridine?
The IUPAC name of 4-(3-methylhexan-3-ylsulfanyl)pyridine (CID 130456725) is 4-(3-methylhexan-3-ylsulfanyl)pyridine.
What is the SMILES notation for 4-(3-methylhexan-3-ylsulfanyl)pyridine?
The canonical SMILES for 4-(3-methylhexan-3-ylsulfanyl)pyridine is CCCC(C)(CC)Sc1ccncc1.
What is the InChIKey of 4-(3-methylhexan-3-ylsulfanyl)pyridine?
The InChIKey is RCLDLUYASWCMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-8-12(3,5-2)14-11-6-9-13-10-7-11/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 4-(3-methylhexan-3-ylsulfanyl)pyridine?
4-(3-methylhexan-3-ylsulfanyl)pyridine has a molecular weight of 209.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylhexan-3-ylsulfanyl)pyridine is sourced from PubChem (CID 130456725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).